3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide

C15H14F2N2OS — CID 43699005

IUPAC3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1N
InChIInChI=1S/C15H14F2N2OS/c1-9-2-3-10(8-13(9)18)14(20)19-11-4-6-12(7-5-11)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20)
InChIKeyRMKQGFKEROTWKS-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.14
Rot. Bonds4

About 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide

3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide (PubChem CID 43699005) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
PubChem CID43699005
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1N
InChIInChI=1S/C15H14F2N2OS/c1-9-2-3-10(8-13(9)18)14(20)19-11-4-6-12(7-5-11)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20)
InChIKeyRMKQGFKEROTWKS-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide
CID 63188288
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
N-[4-(difluoromethylsulfanyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26499454
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide (CID 43699005) is 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1N.
What is the InChIKey of 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide?
The InChIKey is RMKQGFKEROTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c1-9-2-3-10(8-13(9)18)14(20)19-11-4-6-12(7-5-11)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide?
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide has a molecular weight of 308.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 43699005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).